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BDBM456 3-({2-tert-butyl-4-[(dimethylsulfamoyl)amino]-5-methylphenyl}sulfanyl)-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-6-(propan-2-yl)-5,6-dihydro-2H-pyran-2-one::CHEMBL354783::Dihydropyran-2-one deriv. 61

SMILES: CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)N(C)C)cc2C(C)(C)C)C(=O)O1

InChI Key: InChIKey=XMKQPNRTUYFWGW-UHFFFAOYNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 456   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM456
PNG
(3-({2-tert-butyl-4-[(dimethylsulfamoyl)amino]-5-me...)
Show SMILES CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)N(C)C)cc2C(C)(C)C)C(=O)O1
Show InChI InChI=1/C29H40N2O6S2/c1-18(2)29(14-13-20-9-11-21(32)12-10-20)17-24(33)26(27(34)37-29)38-25-15-19(3)23(16-22(25)28(4,5)6)30-39(35,36)31(7)8/h9-12,15-16,18,26,30,32H,13-14,17H2,1-8H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Activity of potent nonpeptidic inhibitor against protease


J Med Chem 43: 843-58 (2000)


Article DOI: 10.1021/jm990281p
BindingDB Entry DOI: 10.7270/Q2R49S0R
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM456
PNG
(3-({2-tert-butyl-4-[(dimethylsulfamoyl)amino]-5-me...)
Show SMILES CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)N(C)C)cc2C(C)(C)C)C(=O)O1
Show InChI InChI=1/C29H40N2O6S2/c1-18(2)29(14-13-20-9-11-21(32)12-10-20)17-24(33)26(27(34)37-29)38-25-15-19(3)23(16-22(25)28(4,5)6)30-39(35,36)31(7)8/h9-12,15-16,18,26,30,32H,13-14,17H2,1-8H3
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...


J Med Chem 43: 843-58 (2000)


Article DOI: 10.1021/jm990281p
BindingDB Entry DOI: 10.7270/Q21N7Z9R
More data for this
Ligand-Target Pair